(2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]pipecolinamide Formula: C28H40N4O2S MolecularWeight: 496.7078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C

InChI

InChI=1S/C28H40N4O2S/c1-20-8-13-26(35-20)19-31(16-14-22-6-4-3-5-7-22)25-15-17-32(21(2)33)27(18-25)28(34)30-24-11-9-23(29)10-12-24/h3-8,13,23-25,27H,9-12,14-19,29H2,1-2H3,(H,30,34)/t23?,24?,25?,27-/m1/s1